[gmx-users] Which computer yields the highest performance per price

[David van der Spoel]

On 12/07/16 16:17, Morten wrote:
> Hi,
>
> I am trying to decide which computer to buy. I am primarily running all
> atom simulations and MARTINI CG simulations with approximately 200000 or
> 10000 atoms, respectively. I care manly about through-put and run single
> precision. The computers I am considering are:
>
> i7-6700K with GTX970 or GTX1070
>
> i7-6800K with GTX1070
>
> i7-6900K with GTX1080
>
> I think the price scale with the amount of cores rather well, but which
> solution would yield the best CPU/GPU balance and highest performance
> per price? Of cause this is pretty much speculations as we have no valid
> benchmarks yet, but any input is appreciated as I need to buy the
> computer soon.
Maybe you should also consider the accuracy of the chemical model ;)

>
> Best regards
> Morten


-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se